SCHEMBL30965002

SCHEMBL30965002

COC(=O)Cc1ccc(C(=O)O)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
GFER P55789 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
NR1H4 Q96RI1 1/20 0.49
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
HSP90AB1 P08238 1/20 0.47
SRD5A2 P31213 1/20 0.46
SLC7A5 Q01650 1/20 0.46
RXRA P19793 1/20 0.45
HPGD P15428 2/20 0.44
MAPT P10636 2/20 0.44
TSHR P16473 1/20 0.44
RARB P10826 1/20 0.44
PKM P14618 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1964916 0.84 NR1H4 (0.47) NR1H4CYP4F2CYP4A11RXRAHPGD
SCHEMBL24410145 0.83 ALDH1A1 (0.51) ALDH1A1GAAGFERSMN1; SMN2NPC1
SCHEMBL1786183 0.82 NPC1 (0.63) ALDH1A1GAAGFERSMN1; SMN2NPC1
SCHEMBL30965013 0.82 SRD5A2 (0.57) ALDH1A1GAANR1H4SRD5A2RXRA
SCHEMBL14239394 0.82 ALDH1A1 (0.67) ALDH1A1GAAGFERSMN1; SMN2NPC1
SCHEMBL11009620 0.81 NR1H4 (0.49) ALDH1A1NR1H4CYP4F2CYP4A11SRD5A2
SCHEMBL12960365 0.79 RXRA (0.53) NR1H4CYP4F2CYP4A11SRD5A2RXRA
SCHEMBL2127019 0.79 GAA (0.68) ALDH1A1GAAGFERSMN1; SMN2NPC1
SCHEMBL12062913 0.79 ALDH1A1 (0.54) ALDH1A1GAAGFERSMN1; SMN2NPC1
SCHEMBL30096935 0.79 GAA (0.68) ALDH1A1GAAGFERSMN1; SMN2NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024121779-A1 PAPAIN-LIKE PROTEASE (PLPRO) INHIBITORS PFIZER INC. (US) 2024-06-13 WO disclosed